HRID149627

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID69315270

未命名化合物

HCID178463384

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)c1ccc(-n2ccc3c2CCCC3)c(Cl)c1)c1nc2cc(Cl)ccc2[nH]1

HCID178464855

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cac19ed45c354283876ef1eb5e2da8ec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[B-:20]([F:21])([F:22])([F:23])[F:24].[CH2:65]([OH:66])[CH3:67].[CH:42]([N:43]([CH:44]([CH3:45])[CH3:46])[CH2:47][CH3:48])([CH3:49])[CH3:50].[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][c:10]1-[n:11]1[cH:12][cH:13][c:14]2[c:19]1[CH2:18][CH2:17][CH2:16][CH2:15]2.[Cl:51][c:52]1[cH:53][c:54]2[c:55]([nH:56][c:57]([CH:59]([CH3:60])[NH2:61])[n:58]2)[cH:62][cH:63]1.[Cl:68][CH2:69][Cl:70].[Cl:71].[NH3:64].[O:72]1[CH2:73][CH2:74][CH2:75][CH2:76]1.[n:25]1([O:26][C:27]([N:28]([CH3:29])[CH3:30])=[N+:31]([CH3:32])[CH3:33])[c:34]2[cH:35][cH:36][cH:37][cH:38][c:39]2[n:40][n:41]1>>[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:7])[NH:61][CH:59]([c:57]2[nH:56][c:55]3[c:54]([cH:53][c:52]([Cl:51])[cH:63][cH:62]3)[n:58]2)[CH3:60])[cH:8][cH:9][c:10]1-[n:11]1[cH:12][cH:13][c:14]2[c:19]1[CH2:18][CH2:17][CH2:16][CH2:15]2